ChemSpider 2D Image | KN3160000 | C8H18O3

KN3160000

  • Molecular FormulaC8H18O3
  • Average mass162.227 Da
  • Monoisotopic mass162.125595 Da
  • ChemSpider ID21106583

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

112-36-7 [RN]
1-Ethoxy-2-(2-ethoxyethoxy)ethan [German] [ACD/IUPAC Name]
1-Ethoxy-2-(2-ethoxyethoxy)ethane [ACD/IUPAC Name]
1-Éthoxy-2-(2-éthoxyéthoxy)éthane [French] [ACD/IUPAC Name]
203-963-7 [EINECS]
2-Ethoxyethyl ether
bis(2-ethoxyethyl) ether
Diethyldiglycol
Diethylene glycol diethyl ether
ethane, 1,1'-oxybis[2-ethoxy-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZH086O935Z [DBID]
308277_ALDRICH [DBID]
32188_FLUKA [DBID]
AI3-19428 [DBID]
BRN 1699259 [DBID]
BRN 1700198 [DBID]
E4658_ALDRICH [DBID]
HSDB 68 [DBID]
Jsp000952 [DBID]
NCGC00164135-01 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1044 (estimated with error: 68) NIST Spectra mainlib_229036, replib_118540, replib_188696

    • Retention Index (Lee):

      174.83 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 112367; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 31(5), 1993, 801-804.) NIST Spectra nist ri
      179.46 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 112367; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 31(5), 1993, 801-804.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1058 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 112367; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1081.4 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 20 C; End T: 200 C; CAS no: 112367; Active phase: DB-5; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Olson, K.L.; Wong, C.A.; Fleck, L.L.; Lazar, D.F., Qualitative and quantitative determination of solvent formulations in automotive paints, J. Coat. Technol., 60(762), 1988, 45-50.) NIST Spectra nist ri

    • Retention Index (Linear):

      1081 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 20 C; End T: 200 C; CAS no: 112367; Active phase: DB-5; Phase thickness: 1.0 um; Data type: Linear RI; Authors: Olson, K.L.; Wong, C.A.; Fleck, L.L.; Lazar, D.F., Qualitative and Quantitative Determination of Solvent Formulations in Automotive Paints, J. Chromatogr. Sci., 25, 1987, 418-423.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 190.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 71.1±0.0 °C
Index of Refraction: 1.408
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 42.07
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 42.07
Polar Surface Area: 28 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 179.7±3.0 cm3

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